#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/61/1526127.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1526127
loop_
_publ_author_name
'Nery, J.G.'
'Giotto, M.V.'
'Cardoso, D.'
'Primerano Mascarenhas, Y.'
'Zanon Zotin, F.M.'
'Sousa-Aguiar, E.F.'
_publ_section_title
;
 Rietveld refinement and solid state NMR study of Nd-, Sm-, Gd-, and
 Dy-containing Y zeolites
;
_journal_name_full               'Microporous and Mesoporous Materials'
_journal_page_first              281
_journal_page_last               293
_journal_volume                  41
_journal_year                    2000
_chemical_formula_sum
'Al50.9 H81.83 Na16.96 Nd12.16 O428.93 Si146.6'
_chemical_name_systematic
;
Nd12.16 Na16.96 Al5.5 (Al O2)45.4 (Si O2)146.6 (O H)8.03 (H2 O)36.9
;
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.64189
_cell_length_b                   24.64189
_cell_length_c                   24.64189
_cell_volume                     14963.116
_citation_journal_id_ASTM        MIMMFJ
_cod_data_source_file            Nery_MIMMFJ_2000_264.cif
_cod_data_source_block           H81.83Al50.9Na16.96Nd12.16O428.93Si146.6
_cod_original_cell_volume        14963.12
_cod_original_formula_sum
'H81.83 Al50.9 Na16.96 Nd12.16 O428.93 Si146.6'
_cod_database_code               1526127
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loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Al1 Al+3 -0.0541 0.13 0.0352 0.2365 0.0
Na1 Na+1 0.2842 0.2842 0.2842 0.53 0.0
Si1 Si+4 -0.0541 0.13 0.0352 0.7635 0.0
O4 O-2 0.062 0.062 0.3216 1 0.0
O2 O-2 -0.0013 -0.0013 0.1407 1 0.0
O7 O-2 0.173 0.803 0.048 0.054 0.0
Nd1 Nd+3 0.0689 0.0689 0.0689 0.38 0.0
O3 O-2 0.0752 0.0752 -0.0311 1 0.0
O1 O-2 0 0.8852 0.1148 1 0.0
O5 O-2 0.0822 0.0674 0.1547 0.13 0.0
Al2 Al 0.028 0.028 0.028 0.172 0.0
O6 O-2 0.4097 0.7169 0.7884 0.05 0.0
